Exploring different reaction mechanisms for oxidation of CO over a single Pd atom incorporated nitrogen-doped graphene: A DFT study

2019 ◽  
Vol 463 ◽  
pp. 526-534 ◽  
Author(s):  
Mehdi D. Esrafili ◽  
Soheila Asadollahi
Keyword(s):  
Reaction Mechanisms ◽  
Dft Study ◽  
Oxidation Of Co ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Incorporated Nitrogen

Theoretical insights into the thermal reduction of N2 to NH3 over a single metal atom incorporated nitrogen-doped graphene

2021 ◽  
Vol 154 (5) ◽  
pp. 054703
Author(s):  
Zhongpu Fang ◽  
Qi Wang ◽  
Yanli Li ◽  
Yi Li ◽  
Shuping Huang ◽  
...  
Keyword(s):  
Metal Atom ◽  
Thermal Reduction ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Incorporated Nitrogen

Nickel-Incorporated, Nitrogen-Doped Graphene Nanoribbons as Efficient Electrocatalysts for Oxygen Evolution Reaction

2018 ◽  
Vol 165 (3) ◽  
pp. H141-H146 ◽  
Author(s):  
Jaison Joy ◽  
Archana Sekar ◽  
Saranyan Vijayaraghavan ◽  
Prem Kumar T. ◽  
Vijayamohanan K Pillai ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Graphene Nanoribbons ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Incorporated Nitrogen

Probing the effect of different graphitic nitrogen sites on the aerobic oxidation of thiols to disulfides: a DFT study

2018 ◽  
Vol 20 (3) ◽  
pp. 2057-2065 ◽  
Author(s):  
J. Vijaya Sundar ◽  
M. Kamaraj ◽  
V. Subramanian
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Aerobic Oxidation ◽  
Dft Study ◽  
Functional Theory ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

An attempt has been made to investigate the possibility of utilizing nitrogen doped graphene for the aerobic oxidation of thiols to disulfides using density functional theory.

Theoretical insights into catalytic CO2 hydrogenation over single-atom (Fe or Ni) incorporated nitrogen-doped graphene

2021 ◽  
Vol 48 ◽  
pp. 101532
Author(s):  
Preeyaporn Poldorn ◽  
Yutthana Wongnongwa ◽  
Tanabat Mudchimo ◽  
Siriporn Jungsuttiwong
Keyword(s):  
Co2 Hydrogenation ◽  
Single Atom ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Incorporated Nitrogen
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